Jaroslaw J. Panek

Orcid: 0000-0002-2952-9739

According to our database1, Jaroslaw J. Panek authored at least 13 papers between 2005 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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PhD thesis 
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Bibliography

2023
Making and Breaking - Insight into the Symmetry of Salen Analogues.
Symmetry, February, 2023

2022
Interactions between Artificial Channel Protein, Water Molecules, and Ions Based on Theoretical Approaches.
Symmetry, 2022

2021
Structure-Property Relationship in Selected Naphtho- and Anthra-Quinone Derivatives on the Basis of Density Functional Theory and Car-Parrinello Molecular Dynamics.
Symmetry, 2021

2020
Symmetry/Asymmetry of the NHN Hydrogen Bond in Protonated 1, 8-Bis(dimethylamino)naphthalene.
Symmetry, 2020

Microsolvation of Histidine - A Theoretical Study of Intermolecular Interactions Based on AIM and SAPT Approaches.
Symmetry, 2020

2015
"Zwitterionic Proton Sponge" Hydrogen Bonding Investigations on the Basis of Car-Parrinello Molecular Dynamics.
J. Chem. Inf. Model., 2015

2014
Comparison of Resonance Assisted and Charge Assisted Effects in Strengthening of Hydrogen Bonds in Dipyrrins.
J. Chem. Inf. Model., 2014

2012
Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines.
J. Comput. Aided Mol. Des., 2012

2010
Flexibility of a biotinylated ligand in artificial metalloenzymes based on streptavidin - an insight from molecular dynamics simulations with classical and ab initio force fields.
J. Comput. Aided Mol. Des., 2010

2009
Investigations of an O-H * * * S hydrogen bond via Car-Parrinello and path integral molecular dynamics.
J. Comput. Chem., 2009

2007
Molecular Properties Investigation of a Substituted Aromatic Mannich Base: Dynamic and Static Models.
J. Chem. Inf. Model., 2007

2005
Kohonen Network Study of Aromatic Compounds Based on Electronic and Nonelectronic Structure Descriptors.
J. Chem. Inf. Model., 2005

Molecular Modeling Study of Leflunomide and Its Active Metabolite Analogues.
J. Chem. Inf. Model., 2005


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